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3-(4-methylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 97cWqK4gEGJ
InChI InChI=1S/C17H13N5O2S/c1-11-2-4-13(5-3-11)16-18-19-17-21(16)20-15(10-25-17)12-6-8-14(9-7-12)22(23)24/h2-9H,10H2,1H3
InChIKey FNNQQDMHHSPZAY-UHFFFAOYSA-N
Mol Weight 351.38 g/mol
Molecular Formula C17H13N5O2S
Exact Mass 351.078996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8YGlReA8PbF
Name 3-(4-methylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H13N5O2S/c1-11-2-4-13(5-3-11)16-18-19-17-21(16)20-15(10-25-17)12-6-8-14(9-7-12)22(23)24/h2-9H,10H2,1H3
InChIKey FNNQQDMHHSPZAY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26075
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D61944; Labnumber: UDSG-00743; SBI_ID: SBI-026079
Temperature 315 °C